2-Hepten-4-one, 6-hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-

Overview IFRA Botanical Request a quote

  • Identifiers

    CAS number
    38043-98-0

    Molecular formula
    C15H24O2

    SMILES
    CC1=CCC(CC1)C(C)(CC(=O)C=C(C)C)O

  • Odor profile

    Floral 82.11%
    Fruity 65.9%
    Sweet 64.48%
    Woody 62.26%
    Rose 55.18%
    Herbal 46.2%
    Fresh 41.86%
    Citrus 39.18%
    Mint 36.32%
    Green 35.03%

    Scent© AI

  • Properties

    XLogP3-AA
    2.6

    Molecular weight
    236.35 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    329°C

    Flash point est.
    137.63 ˚C

  • Synonyms

    • 2-Hepten-4-one, 6-hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-
    • .alpha.-Bisabolone
    • 38043-98-0
    • 55659-35-3
    • DTXSID50339731
    • WDXJULFVOJUQJU-UHFFFAOYSA-N
    • 6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one
    • 6-Hydroxy-2-methyl-6-(4-methyl-3-cyclohexen-1-yl)-2-hepten-4-one #

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 696.09
    methanol 802.59
    isopropanol 556.55
    water 0.91
    ethyl acetate 423.92
    n-propanol 445.31
    acetone 504.17
    n-butanol 430.53
    acetonitrile 312.32
    DMF 612.98
    toluene 206.88
    isobutanol 302.41
    1,4-dioxane 1176.01
    methyl acetate 340.66
    THF 1528.09
    2-butanone 349.01
    n-pentanol 251.58
    sec-butanol 333.32
    n-hexane 34.45
    ethylene glycol 67.54
    NMP 461.86
    cyclohexane 77.12
    DMSO 409.68
    n-butyl acetate 336.77
    n-octanol 201.14
    chloroform 786.07
    n-propyl acetate 225.28
    acetic acid 391.45
    dichloromethane 481.23
    cyclohexanone 540.95
    propylene glycol 196.28
    isopropyl acetate 299.54
    DMAc 505.33
    2-ethoxyethanol 326.59
    isopentanol 362.96
    n-heptane 31.22
    ethyl formate 248.19
    1,2-dichloroethane 291.59
    n-hexanol 430.08
    2-methoxyethanol 741.49
    isobutyl acetate 183.41
    tetrachloromethane 83.65
    n-pentyl acetate 194.54
    transcutol 1698.4
    n-heptanol 180.86
    ethylbenzene 104.37
    MIBK 251.41
    2-propoxyethanol 672.01
    tert-butanol 638.48
    MTBE 401.71
    2-butoxyethanol 328.05
    propionic acid 266.62
    o-xylene 119.77
    formic acid 135.23
    diethyl ether 401.33
    m-xylene 154.78
    p-xylene 143.0
    chlorobenzene 240.03
    dimethyl carbonate 150.61
    n-octane 12.26
    formamide 174.97
    cyclopentanone 559.51
    2-pentanone 333.93
    anisole 251.88
    cyclopentyl methyl ether 482.36
    gamma-butyrolactone 608.07
    1-methoxy-2-propanol 646.02
    pyridine 438.42
    3-pentanone 214.76
    furfural 490.95
    n-dodecane 13.63
    diethylene glycol 421.26
    diisopropyl ether 131.39
    tert-amyl alcohol 372.08
    acetylacetone 380.0
    n-hexadecane 15.72
    acetophenone 202.45
    methyl propionate 295.07
    isopentyl acetate 319.81
    trichloroethylene 580.64
    n-nonanol 176.48
    cyclohexanol 379.43
    benzyl alcohol 198.68
    2-ethylhexanol 215.04
    isooctanol 134.58
    dipropyl ether 234.97
    1,2-dichlorobenzene 203.07
    ethyl lactate 142.74
    propylene carbonate 380.09
    n-methylformamide 259.11
    2-pentanol 274.43
    n-pentane 32.31
    1-propoxy-2-propanol 488.14
    1-methoxy-2-propyl acetate 435.6
    2-(2-methoxypropoxy) propanol 355.3
    mesitylene 105.07
    ε-caprolactone 499.57
    p-cymene 84.75
    epichlorohydrin 678.86
    1,1,1-trichloroethane 330.59
    2-aminoethanol 207.81
    morpholine-4-carbaldehyde 695.45
    sulfolane 470.89
    2,2,4-trimethylpentane 22.56
    2-methyltetrahydrofuran 814.91
    n-hexyl acetate 337.08
    isooctane 23.14
    2-(2-butoxyethoxy)ethanol 536.88
    sec-butyl acetate 179.77
    tert-butyl acetate 339.19
    decalin 34.23
    glycerin 242.39
    diglyme 790.35
    acrylic acid 197.46
    isopropyl myristate 134.04
    n-butyric acid 489.08
    acetyl acetate 282.8
    di(2-ethylhexyl) phthalate 139.23
    ethyl propionate 204.18
    nitromethane 487.39
    1,2-diethoxyethane 432.58
    benzonitrile 257.19
    trioctyl phosphate 102.54
    1-bromopropane 196.07
    gamma-valerolactone 826.21
    n-decanol 126.85
    triethyl phosphate 118.45
    4-methyl-2-pentanol 190.39
    propionitrile 259.99
    vinylene carbonate 329.22
    1,1,2-trichlorotrifluoroethane 426.11
    DMS 236.77
    cumene 79.45
    2-octanol 120.53
    2-hexanone 220.63
    octyl acetate 172.43
    limonene 127.47
    1,2-dimethoxyethane 621.24
    ethyl orthosilicate 120.33
    tributyl phosphate 128.35
    diacetone alcohol 412.36
    N,N-dimethylaniline 159.27
    acrylonitrile 252.96
    aniline 266.29
    1,3-propanediol 382.9
    bromobenzene 214.32
    dibromomethane 312.81
    1,1,2,2-tetrachloroethane 520.29
    2-methyl-cyclohexyl acetate 205.38
    tetrabutyl urea 152.67
    diisobutyl methanol 122.66
    2-phenylethanol 286.06
    styrene 121.47
    dioctyl adipate 191.73
    dimethyl sulfate 169.98
    ethyl butyrate 223.61
    methyl lactate 190.34
    butyl lactate 195.99
    diethyl carbonate 165.23
    propanediol butyl ether 370.7
    triethyl orthoformate 184.09
    p-tert-butyltoluene 92.46
    methyl 4-tert-butylbenzoate 237.56
    morpholine 1238.83
    tert-butylamine 359.49
    n-dodecanol 94.75
    dimethoxymethane 536.45
    ethylene carbonate 310.33
    cyrene 256.94
    2-ethoxyethyl acetate 300.34
    2-ethylhexyl acetate 240.59
    1,2,4-trichlorobenzene 248.0
    4-methylpyridine 453.01
    dibutyl ether 206.86
    2,6-dimethyl-4-heptanol 122.66
    DEF 326.82
    dimethyl isosorbide 543.56
    tetrachloroethylene 283.38
    eugenol 220.25
    triacetin 297.8
    span 80 347.42
    1,4-butanediol 108.43
    1,1-dichloroethane 331.88
    2-methyl-1-pentanol 216.11
    methyl formate 206.58
    2-methyl-1-butanol 275.61
    n-decane 23.13
    butyronitrile 339.59
    3,7-dimethyl-1-octanol 194.42
    1-chlorooctane 98.19
    1-chlorotetradecane 41.78
    n-nonane 20.66
    undecane 17.21
    tert-butylcyclohexane 35.18
    cyclooctane 24.01
    cyclopentanol 337.55
    tetrahydropyran 956.8
    tert-amyl methyl ether 246.11
    2,5,8-trioxanonane 547.23
    1-hexene 125.3
    2-isopropoxyethanol 254.97
    2,2,2-trifluoroethanol 107.33
    methyl butyrate 253.58

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction

Botanical

Name CAS Botanical Proportion
Lantana camara (India) 1a leaf 90046-17-6 Lantana camara L., fam. Verbenaceae 0.1%
Lantana camara (India) 1b flower 90046-17-6 Lantana camara L., fam. Verbenaceae 0.9%